C611-0439 Screening compound: 3-amino-6-benzyl-N-(2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

C611-0439 Screening compound: 3-amino-6-benzyl-N-(2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide
C611-0439 Screening compound: 3-amino-6-benzyl-N-(2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C611-0439
3-amino-6-benzyl-N-(2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C611-0439

Molecular Formula

C25H24N4OS (C25 H24 N4 OS)

Compound Name

3-amino-6-benzyl-N-(2-methylphenyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide

IUPAC name

3-amino-6-benzyl-N-(2-methylphenyl)-5H6H7H8H-thieno[23-b]16-naphthyridine-2-carboxamide

SMILES

Cc(cccc1)c1NC(c(sc1nc(CCN(Cc2ccccc2)C2)c2cc11)c1N)=O

InChI

InChI=1S/C25H24N4OS/c1-16-7-5-6-10-20(16)27-24(30)23-22(26)19-13-18-15-29(14-17-8-3-2-4-9-17)12-11-21(18)28-25(19)31-23/h2-10,13H,11-12,14-15,26H2,1H3,(H,27,30)

InChI Key

KJQMWICIMYTVMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10086875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.359

Water Solubility, LogSw

-4.34

Polar Surface Area

56.634

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C611-0439 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C611-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C611-0439?
Check Price and Availability of C611-0439, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C611-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C611-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C611-0439
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C611-0439 available by request